2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(3-amino-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-amino-4-oxo-2-quinazolinyl)thio]acetate IUPAC Name: 2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-amino-4-keto-quinazolin-2-yl)thio]acetate Formula: C10H8N3O3S- MolecularWeight: 250.25382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)[O-])N

InChI

InChI=1S/C10H9N3O3S/c11-13-9(16)6-3-1-2-4-7(6)12-10(13)17-5-8(14)15/h1-4H,5,11H2,(H,14,15)/p-1